7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one

C24H19ClO4 — CID 44963440

IUPAC7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
SMILESCOc1ccc(-c2c(C)c3ccc(OCc4ccc(Cl)cc4)cc3oc2=O)cc1
InChIInChI=1S/C24H19ClO4/c1-15-21-12-11-20(28-14-16-3-7-18(25)8-4-16)13-22(21)29-24(26)23(15)17-5-9-19(27-2)10-6-17/h3-13H,14H2,1-2H3
InChIKeyZZZITWPUUZEUSK-UHFFFAOYSA-N
MW406.87 g/mol
LogP6.01
Rot. Bonds5

About 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one

7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one (PubChem CID 44963440) has the molecular formula C24H19ClO4 and a molecular weight of 406.87 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
PubChem CID44963440
Molecular FormulaC24H19ClO4
Molecular Weight406.87 g/mol
Exact Mass406.10
IUPAC Name7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
SMILESCOc1ccc(-c2c(C)c3ccc(OCc4ccc(Cl)cc4)cc3oc2=O)cc1
InChIInChI=1S/C24H19ClO4/c1-15-21-12-11-20(28-14-16-3-7-18(25)8-4-16)13-22(21)29-24(26)23(15)17-5-9-19(27-2)10-6-17/h3-13H,14H2,1-2H3
InChIKeyZZZITWPUUZEUSK-UHFFFAOYSA-N
XLogP6.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
3-(4-chlorophenyl)-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 44963498
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] 4-chlorobenzoate
CID 44963557
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
7-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-methylchromen-2-one
CID 44963449
3-(3,4-dimethoxyphenyl)-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 44963500
7-[(4-chlorophenyl)methoxy]-3-hexyl-4-methylchromen-2-one
CID 2338664
2-[7-[(4-chlorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetic acid
CID 1304340
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one (CID 44963440) is 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one is COc1ccc(-c2c(C)c3ccc(OCc4ccc(Cl)cc4)cc3oc2=O)cc1.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one?
The InChIKey is ZZZITWPUUZEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO4/c1-15-21-12-11-20(28-14-16-3-7-18(25)8-4-16)13-22(21)29-24(26)23(15)17-5-9-19(27-2)10-6-17/h3-13H,14H2,1-2H3.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one?
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one has a molecular weight of 406.87 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one is sourced from PubChem (CID 44963440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).